CID 505027

N-[3-(1-hydroxy-ethyl)-phenyl]-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C26H23N3O3
SMILES
CC(C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)O
InChI
InChI=1S/C26H23N3O3/c1-18(30)21-8-4-9-23(15-21)29(25(32)16-24(31)26-27-12-5-13-28-26)17-19-10-11-20-6-2-3-7-22(20)14-19/h2-15,18,30H,16-17H2,1H3
InChIKey
VFDHBQUZFRWDMY-UHFFFAOYSA-N
Compound name
N-[3-(1-hydroxyethyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.17395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.18123 202.6
[M+Na]+ 448.16317 205.9
[M-H]- 424.16667 209.3
[M+NH4]+ 443.20777 208.5
[M+K]+ 464.13711 200.8
[M+H-H2O]+ 408.17121 190.1
[M+HCOO]- 470.17215 218.6
[M+CH3COO]- 484.18780 209.5
[M+Na-2H]- 446.14862 204.9
[M]+ 425.17340 202.7
[M]- 425.17450 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.